1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine

C12H18Cl2N2S — CID 114082897

IUPAC1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(C(C)c2cc(Cl)sc2Cl)CC1N
InChIInChI=1S/C12H18Cl2N2S/c1-7-3-4-16(6-10(7)15)8(2)9-5-11(13)17-12(9)14/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyMWEHYBSMFHYYRY-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.79
Rot. Bonds2

About 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine

1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine (PubChem CID 114082897) has the molecular formula C12H18Cl2N2S and a molecular weight of 293.26 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine
PubChem CID114082897
Molecular FormulaC12H18Cl2N2S
Molecular Weight293.26 g/mol
Exact Mass292.06
IUPAC Name1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine
SMILESCC1CCN(C(C)c2cc(Cl)sc2Cl)CC1N
InChIInChI=1S/C12H18Cl2N2S/c1-7-3-4-16(6-10(7)15)8(2)9-5-11(13)17-12(9)14/h5,7-8,10H,3-4,6,15H2,1-2H3
InChIKeyMWEHYBSMFHYYRY-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083057
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 79879111
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 79879106
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 103781550
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959902
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
CID 114960021
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103786746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine (CID 114082897) is 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine is CC1CCN(C(C)c2cc(Cl)sc2Cl)CC1N.
What is the InChIKey of 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine?
The InChIKey is MWEHYBSMFHYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2S/c1-7-3-4-16(6-10(7)15)8(2)9-5-11(13)17-12(9)14/h5,7-8,10H,3-4,6,15H2,1-2H3.
What are the key properties of 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine?
1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine has a molecular weight of 293.26 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 114082897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).